CID 239933

Nsc45731

Structural Information

Molecular Formula
C18H24ClN3
SMILES
CN(C)CCCCNC1=C2CCCC2=NC3=C1C=CC=C3Cl
InChI
InChI=1S/C18H24ClN3/c1-22(2)12-4-3-11-20-17-13-7-6-10-16(13)21-18-14(17)8-5-9-15(18)19/h5,8-9H,3-4,6-7,10-12H2,1-2H3,(H,20,21)
InChIKey
CHRPRVJFIUPQCD-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16586 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17314 177.5
[M+Na]+ 340.15508 184.5
[M-H]- 316.15858 181.9
[M+NH4]+ 335.19968 195.7
[M+K]+ 356.12902 178.6
[M+H-H2O]+ 300.16312 169.6
[M+HCOO]- 362.16406 194.5
[M+CH3COO]- 376.17971 216.4
[M+Na-2H]- 338.14053 180.7
[M]+ 317.16531 180.9
[M]- 317.16641 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.